OOPSE/libmdtools/PRCG.cpp

#include "OOPSEMinimizer.hpp"
#include "Utility.hpp"
void PRCGMinimizer::init(){

  calcG();
  
  for(int i = 0; i < direction.size(); i++){    
    direction[i] = -curG[i];
  }

}

int PRCGMinimizer::step(){
  int lsStatus;
  
  //optimize along the search direction and reset minimum point value
    lsStatus = doLineSearch(direction, stepSize);

  if (lsStatus < 0)
    return -1;
  else
    return 1;
}

void PRCGMinimizer::prepareStep(){
  vector<double> deltaGrad;
  double beta;
  size_t i;

  deltaGrad.resize(ndim);
    
  //calculate the new direction using Polak-Ribiere Conjugate Gradient
  
  for(i = 0; i < curG.size(); i++)
    deltaGrad[i] = curG[i] - prevG[i];

#ifndef IS_MPI
  beta = dotProduct(deltaGrad, curG) / dotProduct(prevG, prevG);
#else
  double localDP1;
  double localDP2;
  double globalDP1;
  double globalDP2;

  localDP1 =  dotProduct(deltaGrad, curG);
  localDP2 = dotProduct(prevG, prevG);

  MPI_Allreduce(&localDP1, &globalDP1, 1, MPI_DOUBLE,MPI_SUM, MPI_COMM_WORLD);
  MPI_Allreduce(&localDP2, &globalDP2, 1, MPI_DOUBLE,MPI_SUM, MPI_COMM_WORLD);
  
  beta = globalDP1 / globalDP2;
#endif

  for(i = 0; i < direction.size(); i++)  
    direction[i] = -curG[i] + beta * direction[i];

}
Revision:	1064
Committed:	Tue Feb 24 15:44:45 2004 UTC (20 years, 4 months ago) by tim
File size:	1224 byte(s)
Log Message:	Using inherit instead of compose to implement Minimizer both versions are working
#	User	Rev	Content
1	tim	1064	#include "OOPSEMinimizer.hpp"
2			#include "Utility.hpp"
3			void PRCGMinimizer::init(){
4
5			calcG();
6
7			for(int i = 0; i < direction.size(); i++){
8			direction[i] = -curG[i];
9			}
10
11			}
12
13			int PRCGMinimizer::step(){
14			int lsStatus;
15
16			//optimize along the search direction and reset minimum point value
17			lsStatus = doLineSearch(direction, stepSize);
18
19			if (lsStatus < 0)
20			return -1;
21			else
22			return 1;
23			}
24
25			void PRCGMinimizer::prepareStep(){
26			vector<double> deltaGrad;
27			double beta;
28			size_t i;
29
30			deltaGrad.resize(ndim);
31
32			//calculate the new direction using Polak-Ribiere Conjugate Gradient
33
34			for(i = 0; i < curG.size(); i++)
35			deltaGrad[i] = curG[i] - prevG[i];
36
37			#ifndef IS_MPI
38			beta = dotProduct(deltaGrad, curG) / dotProduct(prevG, prevG);
39			#else
40			double localDP1;
41			double localDP2;
42			double globalDP1;
43			double globalDP2;
44
45			localDP1 = dotProduct(deltaGrad, curG);
46			localDP2 = dotProduct(prevG, prevG);
47
48			MPI_Allreduce(&localDP1, &globalDP1, 1, MPI_DOUBLE,MPI_SUM, MPI_COMM_WORLD);
49			MPI_Allreduce(&localDP2, &globalDP2, 1, MPI_DOUBLE,MPI_SUM, MPI_COMM_WORLD);
50
51			beta = globalDP1 / globalDP2;
52			#endif
53
54			for(i = 0; i < direction.size(); i++)
55			direction[i] = -curG[i] + beta * direction[i];
56
57			}